ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate

C11H9ClF4O2 — CID 171030043

IUPACethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(F)c(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H9ClF4O2/c1-2-18-9(17)5-6-3-7(12)10(8(13)4-6)11(14,15)16/h3-4H,2,5H2,1H3
InChIKeyGKNDMICGPAQZMZ-UHFFFAOYSA-N
MW284.64 g/mol
LogP3.60
Rot. Bonds3

About ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate

ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate (PubChem CID 171030043) has the molecular formula C11H9ClF4O2 and a molecular weight of 284.64 g/mol. Its IUPAC name is ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
PubChem CID171030043
Molecular FormulaC11H9ClF4O2
Molecular Weight284.64 g/mol
Exact Mass284.02
IUPAC Nameethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(F)c(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H9ClF4O2/c1-2-18-9(17)5-6-3-7(12)10(8(13)4-6)11(14,15)16/h3-4H,2,5H2,1H3
InChIKeyGKNDMICGPAQZMZ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
CID 171005609
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-(3-chloro-5-cyano-4-fluorophenyl)acetate
CID 134655085
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
ethyl 2-(5-chloro-4-fluoro-2-formylphenyl)acetate
CID 171005424
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
ethyl 2-[3-(bromomethyl)-5-chloro-4-methylphenyl]acetate
CID 171013266
ethyl 2-[5-fluoro-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134631817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate (CID 171030043) is ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1cc(F)c(C(F)(F)F)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is GKNDMICGPAQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4O2/c1-2-18-9(17)5-6-3-7(12)10(8(13)4-6)11(14,15)16/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate?
ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 284.64 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 171030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).